2(3H)-Benzothiazolethione, 6-nitro-
TL;DR: 2(3H)-Benzothiazolethione, 6-nitro- (CAS 4845-58-3) is a chemical compound with molecular formula C7H4N2O2S2 and molecular weight 211.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3H-1,3-benzothiazole-2-thione
Also Known As: 2-Mercapto-6-nitrobenzothiazole, 6-Nitrobenzo[d]thiazole-2(3H)-thione, 6-Nitrobenzo[d]thiazole-2-thiol, 6-Nitro-2-mercaptobenzothiazole, 6-Nitrobenzothiazole-2-thiol
| Molecular Formula | C7H4N2O2S2 |
|---|---|
| Molecular Weight | 211.97 g/mol |
| LogP | 2.86709 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.97142 |
| Heavy Atoms | 13 |
| Complexity | 528.5172 |
Chemical Identifiers
| CAS Number | 4845-58-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2 |
Product Overview
2(3H)-Benzothiazolethione, 6-nitro- (CAS 4845-58-3), with molecular formula C7H4N2O2S2 and molecular weight 211.97 g/mol. IUPAC: 6-nitro-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 2(3H)-Benzothiazolethione, 6-nitro-
Property Insights of 2(3H)-Benzothiazolethione, 6-nitro-
The XLogP value of 2.86709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolethione, 6-nitro-. With a topological polar surface area (TPSA) of 58.93 Ų, 2(3H)-Benzothiazolethione, 6-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolethione, 6-nitro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2(3H)-Benzothiazolethione, 6-nitro-?
The CAS number of 2(3H)-Benzothiazolethione, 6-nitro- is 4845-58-3.
What is the molecular formula of 2(3H)-Benzothiazolethione, 6-nitro-?
The molecular formula of 2(3H)-Benzothiazolethione, 6-nitro- is C7H4N2O2S2.
What is the molecular weight of 2(3H)-Benzothiazolethione, 6-nitro-?
The molecular weight of 2(3H)-Benzothiazolethione, 6-nitro- is 211.97 g/mol.
Where can I buy 2(3H)-Benzothiazolethione, 6-nitro-?
You can request a quote for 2(3H)-Benzothiazolethione, 6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolethione, 6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolethione, 6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.